5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde

C7H9N3O — CID 58764016

IUPAC5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCn1nc(C=O)nc1C1CC1
InChIInChI=1S/C7H9N3O/c1-10-7(5-2-3-5)8-6(4-11)9-10/h4-5H,2-3H2,1H3
InChIKeyAYZDKBIHKNQMGT-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.50
Rot. Bonds2

About 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde

5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 58764016) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde
PubChem CID58764016
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde
SMILESCn1nc(C=O)nc1C1CC1
InChIInChI=1S/C7H9N3O/c1-10-7(5-2-3-5)8-6(4-11)9-10/h4-5H,2-3H2,1H3
InChIKeyAYZDKBIHKNQMGT-UHFFFAOYSA-N
XLogP0.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde (CID 58764016) is 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde is Cn1nc(C=O)nc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is AYZDKBIHKNQMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10-7(5-2-3-5)8-6(4-11)9-10/h4-5H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde?
5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 58764016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).